3-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1-methylpyridin-2-one

C19H20FN3O4 — CID 155871831

IUPAC3-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1-methylpyridin-2-one
SMILESCn1cccc(C(=O)N2CC[C@]3(C[C@@H](Oc4ncccc4F)CO3)C2)c1=O
InChIInChI=1S/C19H20FN3O4/c1-22-8-3-4-14(17(22)24)18(25)23-9-6-19(12-23)10-13(11-26-19)27-16-15(20)5-2-7-21-16/h2-5,7-8,13H,6,9-12H2,1H3/t13-,19+/m1/s1
InChIKeyQULBPIINFZAZHW-YJYMSZOUSA-N
MW373.38 g/mol
LogP1.37
Rot. Bonds3

About 3-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1-methylpyridin-2-one

3-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1-methylpyridin-2-one (PubChem CID 155871831) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is 3-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1-methylpyridin-2-one
PubChem CID155871831
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name3-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1-methylpyridin-2-one
SMILESCn1cccc(C(=O)N2CC[C@]3(C[C@@H](Oc4ncccc4F)CO3)C2)c1=O
InChIInChI=1S/C19H20FN3O4/c1-22-8-3-4-14(17(22)24)18(25)23-9-6-19(12-23)10-13(11-26-19)27-16-15(20)5-2-7-21-16/h2-5,7-8,13H,6,9-12H2,1H3/t13-,19+/m1/s1
InChIKeyQULBPIINFZAZHW-YJYMSZOUSA-N
XLogP1.37
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methylcyclohexyl)methanone
CID 155871177
[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
CID 97477596
2-(dimethylamino)-1-[3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 131662176
[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone
CID 97419632
1-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-(furan-2-yl)ethanone
CID 97420088
[3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155842871
1-[(3R,5R)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-methylsulfonylpropan-1-one
CID 155875338
(2-methoxy-3-pyridinyl)-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone;2,2,2-trifluoroacetic acid
CID 171696419
[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155837773
[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 127022408
[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,2-oxazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 127021767
[(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanone
CID 110150441

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 3-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1-methylpyridin-2-one (CID 155871831) is 3-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 3-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 3-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1-methylpyridin-2-one is Cn1cccc(C(=O)N2CC[C@]3(C[C@@H](Oc4ncccc4F)CO3)C2)c1=O.
What is the InChIKey of 3-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1-methylpyridin-2-one?
The InChIKey is QULBPIINFZAZHW-YJYMSZOUSA-N. The full InChI is InChI=1S/C19H20FN3O4/c1-22-8-3-4-14(17(22)24)18(25)23-9-6-19(12-23)10-13(11-26-19)27-16-15(20)5-2-7-21-16/h2-5,7-8,13H,6,9-12H2,1H3/t13-,19+/m1/s1.
What are the key properties of 3-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1-methylpyridin-2-one?
3-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1-methylpyridin-2-one has a molecular weight of 373.38 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 155871831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).